2-(3-chlorothiophen-2-yl)pentan-2-ol

C9H13ClOS — CID 107359110

IUPAC2-(3-chlorothiophen-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1sccc1Cl
InChIInChI=1S/C9H13ClOS/c1-3-5-9(2,11)8-7(10)4-6-12-8/h4,6,11H,3,5H2,1-2H3
InChIKeyUYPNBCFMDRIYNU-UHFFFAOYSA-N
MW204.72 g/mol
LogP3.41
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)pentan-2-ol

2-(3-chlorothiophen-2-yl)pentan-2-ol (PubChem CID 107359110) has the molecular formula C9H13ClOS and a molecular weight of 204.72 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)pentan-2-ol
PubChem CID107359110
Molecular FormulaC9H13ClOS
Molecular Weight204.72 g/mol
Exact Mass204.04
IUPAC Name2-(3-chlorothiophen-2-yl)pentan-2-ol
SMILESCCCC(C)(O)c1sccc1Cl
InChIInChI=1S/C9H13ClOS/c1-3-5-9(2,11)8-7(10)4-6-12-8/h4,6,11H,3,5H2,1-2H3
InChIKeyUYPNBCFMDRIYNU-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358966
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
CID 107359274
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
CID 107359188

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)pentan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)pentan-2-ol (CID 107359110) is 2-(3-chlorothiophen-2-yl)pentan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)pentan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)pentan-2-ol is CCCC(C)(O)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)pentan-2-ol?
The InChIKey is UYPNBCFMDRIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS/c1-3-5-9(2,11)8-7(10)4-6-12-8/h4,6,11H,3,5H2,1-2H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)pentan-2-ol?
2-(3-chlorothiophen-2-yl)pentan-2-ol has a molecular weight of 204.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)pentan-2-ol is sourced from PubChem (CID 107359110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).